%chk=000286571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286571

0 1
O 2.464965 1.311558 -0.913590
O 4.765280 1.382676 -0.720593
O 3.529461 -1.462903 0.405101
O 5.373833 -2.050952 -0.864568
N 1.262798 -0.856356 0.349546
N -2.437159 -0.115375 0.419238
N 0.468485 -0.172847 2.540255
N -0.043266 -1.069966 -1.578690
N -1.982149 0.334814 2.616292
C 2.921275 0.040686 -1.383819
C 4.461657 0.079058 -1.213533
C 2.439292 -1.155190 -0.502330
C 4.784005 -0.986853 -0.136304
C 3.544145 2.052049 -0.276454
C 3.427635 1.965780 1.229643
C 3.555547 3.446053 -0.863769
C -0.018417 -0.763407 -0.313972
C 1.427550 -0.545168 1.722341
C -1.066411 -0.346102 0.602295
C 5.745680 -3.199396 -0.068732
C -0.810129 -0.055462 1.983229
C -3.171017 -0.276856 -0.852852
C -2.948306 0.292336 1.657286
C -4.625028 0.099469 -0.707900
C -5.030258 1.424613 -0.922409
C -5.571512 -0.877685 -0.368270
C -6.379901 1.767157 -0.803036
C -6.919753 -0.528815 -0.250601
C -7.325232 0.792024 -0.468336
H 2.534136 -0.038041 -2.420121
H 5.064111 -0.049328 -2.134976
H 2.245076 -2.074420 -1.112585
H 5.377675 -0.669875 0.736357
H 3.680595 0.964717 1.601700
H 4.098715 2.675575 1.729132
H 2.401314 2.187401 1.560000
H 4.538204 3.918948 -0.731613
H 3.349320 3.418255 -1.943855
H 2.796041 4.088495 -0.402011
H 2.458537 -0.662069 2.112489
H 4.873565 -3.575604 0.477059
H 6.562994 -2.935620 0.607571
H 6.075391 -3.917175 -0.829466
H -0.919347 -1.041615 -2.082114
H -3.074260 -1.338537 -1.193495
H -2.681761 0.356769 -1.635517
H -3.990081 0.541670 1.822872
H -4.296797 2.189060 -1.178195
H -5.260376 -1.907145 -0.192472
H -6.694936 2.797008 -0.970141
H -7.655539 -1.288421 0.012786
H -8.376946 1.061511 -0.376076


%chk=000286571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286571

0 1
O 2.879357 1.710522 -0.493956
O 5.174272 1.292014 -0.903977
O 3.410193 -1.165340 0.536472
O 4.817894 -2.291310 -1.074340
N 1.137749 -0.394916 0.412274
N -2.587015 0.005929 0.366142
N 0.249028 0.346544 2.543619
N -0.051265 -0.743077 -1.592243
N -2.217949 0.616410 2.545217
C 2.944966 0.426887 -1.202732
C 4.460572 0.072199 -1.273854
C 2.328108 -0.736564 -0.377685
C 4.645432 -1.102601 -0.273268
C 4.252461 2.175710 -0.136446
C 4.479751 2.026807 1.373544
C 4.435871 3.601443 -0.652062
C -0.109999 -0.433563 -0.305181
C 1.252429 0.000895 1.749134
C -1.202683 -0.084987 0.581511
C 5.025044 -3.511284 -0.275671
C -1.001030 0.298261 1.934523
C -3.313814 -0.287066 -0.902017
C -3.140246 0.429365 1.579099
C -4.821756 -0.153125 -0.767310
C -5.462993 1.073987 -1.070738
C -5.605715 -1.253528 -0.337940
C -6.864881 1.200735 -0.946957
C -7.007390 -1.129828 -0.212806
C -7.639759 0.098380 -0.517383
H 2.436193 0.528219 -2.172457
H 4.812373 -0.231353 -2.270598
H 2.047250 -1.550237 -1.069830
H 5.473046 -0.958366 0.446381
H 4.380187 0.973515 1.683150
H 5.489621 2.384486 1.638896
H 3.733650 2.626010 1.923362
H 5.469227 3.941116 -0.466525
H 4.235828 3.635833 -1.734859
H 3.738370 4.282524 -0.135846
H 2.268125 -0.016024 2.141998
H 4.156874 -3.704096 0.380091
H 5.942808 -3.424245 0.340624
H 5.141279 -4.327778 -1.003723
H -0.975240 -0.778765 -2.051623
H -3.053550 -1.316494 -1.211837
H -2.942726 0.408271 -1.678535
H -4.208597 0.579982 1.703051
H -4.864320 1.930962 -1.402994
H -5.118064 -2.206814 -0.100132
H -7.349888 2.153244 -1.186003
H -7.603445 -1.987038 0.118239
H -8.726934 0.194649 -0.423000


